SCHEMBL12830151

SCHEMBL12830151

O=C(/C=C/c1ccccc1)Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.56
▸ EGFR P00533 8/20 0.55
▸ MMP1 P03956 6/20 0.55
▸ MMP2 P08253 6/20 0.55
▸ MMP9 P14780 6/20 0.55
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SLC12A2 P55011 1/20 0.53
▸ SLC12A5 Q9H2X9 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ LTB4R Q15722 2/20 0.48
▸ TRPM2 O94759 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12830157 0.92 MAPT (0.62) EGFRMMP1MMP2MMP9RAB9A
SCHEMBL12830158 0.88 GAA (0.49) TRPA1EGFRMMP1MMP2MMP9
SCHEMBL12830153 0.88 TRPA1 (0.56) TRPA1EGFRMMP1MMP2MMP9
SCHEMBL12830155 0.88 TRPA1 (0.56) TRPA1EGFRMMP1MMP2MMP9
SCHEMBL12830152 0.86 TRPA1 (0.43) TRPA1EGFRMMP1MMP2MMP9
SCHEMBL12756723 0.84 MEN1 (0.59) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL12756705 0.80 ANO1 (0.38) TRPA1EGFRMMP1MMP2MMP9
SCHEMBL12829852 0.79 TRPA1 (0.54) TRPA1EGFRMMP1MMP2MMP9
SCHEMBL12756545 0.79 ANO1 (0.49) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL12319223 0.79 KMT2A (0.84) EGFRMMP1MMP2MMP9RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TRPA1 75/4885EGFR 4684/4885MMP1 4273/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TRPA1 75/4885EGFR 4684/4885MMP1 4273/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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